4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione

C12H8FN3S2 — CID 717973

IUPAC4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
SMILESCc1cn2c(-c3ccccc3F)nc(=S)nc2s1
InChIInChI=1S/C12H8FN3S2/c1-7-6-16-10(8-4-2-3-5-9(8)13)14-11(17)15-12(16)18-7/h2-6H,1H3
InChIKeyRLJDVMRURPRXCZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.63
Rot. Bonds1

About 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione

4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione (PubChem CID 717973) has the molecular formula C12H8FN3S2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
PubChem CID717973
Molecular FormulaC12H8FN3S2
Molecular Weight277.35 g/mol
Exact Mass277.01
IUPAC Name4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
SMILESCc1cn2c(-c3ccccc3F)nc(=S)nc2s1
InChIInChI=1S/C12H8FN3S2/c1-7-6-16-10(8-4-2-3-5-9(8)13)14-11(17)15-12(16)18-7/h2-6H,1H3
InChIKeyRLJDVMRURPRXCZ-UHFFFAOYSA-N
XLogP3.63
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione?
The IUPAC name of 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione (CID 717973) is 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione.
What is the SMILES notation for 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione?
The canonical SMILES for 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione is Cc1cn2c(-c3ccccc3F)nc(=S)nc2s1.
What is the InChIKey of 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione?
The InChIKey is RLJDVMRURPRXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S2/c1-7-6-16-10(8-4-2-3-5-9(8)13)14-11(17)15-12(16)18-7/h2-6H,1H3.
What are the key properties of 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione?
4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione has a molecular weight of 277.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-7-methyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione is sourced from PubChem (CID 717973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).